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Home > Imidazoles > 571157-63-6
571157-63-6 | 1-(2-METHOXY-ETHYL)-1H-BENZOIMIDAZOLE-2-THIOL
CAS No: 571157-63-6 Catalog No: AG00ECIU MDL No:MFCD03988530
Product Description
Catalog Number:
AG00ECIU
Chemical Name:
1-(2-METHOXY-ETHYL)-1H-BENZOIMIDAZOLE-2-THIOL
CAS Number:
571157-63-6
Molecular Formula:
C10H12N2OS
Molecular Weight:
208.2801
MDL Number:
MFCD03988530
IUPAC Name:
3-(2-methoxyethyl)-1H-benzimidazole-2-thione
InChI:
InChI=1S/C10H12N2OS/c1-13-7-6-12-9-5-3-2-4-8(9)11-10(12)14/h2-5H,6-7H2,1H3,(H,11,14)
InChI Key:
GJGGNVTXYUALAR-UHFFFAOYSA-N
SMILES:
COCCn1c(S)nc2c1cccc2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.279g/mol
Monoisotopic Mass:
208.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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